1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea

C19H22N4O3S — CID 150914849

IUPAC1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea
SMILESCC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CC=C3)n1
InChIInChI=1S/C19H22N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h3,7,9-12H,4-6,8H2,1-2H3,(H2,20,22,24)
InChIKeyLCTRHZAPYBOHJC-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.03
Rot. Bonds4

About 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea

1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea (PubChem CID 150914849) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea
PubChem CID150914849
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea
SMILESCC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CC=C3)n1
InChIInChI=1S/C19H22N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h3,7,9-12H,4-6,8H2,1-2H3,(H2,20,22,24)
InChIKeyLCTRHZAPYBOHJC-UHFFFAOYSA-N
XLogP3.03
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
CID 142587969
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 147824215
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122499872
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea
CID 142588049
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
CID 142588060
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
CID 122480744
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 165111153
CID 175825067
CID 175825067
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea
CID 137402561
6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
CID 137403461
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
CID 175859595
CID 175859595

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea (CID 150914849) is 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CC=C3)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea?
The InChIKey is LCTRHZAPYBOHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h3,7,9-12H,4-6,8H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea?
1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea has a molecular weight of 386.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 150914849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).